1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline

C72H79F3N10O6S3 — CID 160823831

About 1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline

1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 160823831) has the molecular formula C72H79F3N10O6S3 and a molecular weight of 1333.68 g/mol. Its IUPAC name is 1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

• Compound Name: 1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline
• PubChem CID: 160823831
• Molecular Formula: C72H79F3N10O6S3
• Molecular Weight: 1333.68 g/mol
• Exact Mass: 1332.53
• IUPAC Name: 1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline
• SMILES: CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCCN4C)c3ccccc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)N(C)CCC4)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)N(C)CCC4)c3ncccc23)CC1
• InChI: InChI=1S/C25H26F3N3O2S.C24H27N3O2S.C23H26N4O2S/c1-29-12-9-17(10-13-29)22-16-31(23-8-6-19(14-21(22)23)25(26,27)28)34(32,33)20-7-5-18-4-3-11-30(2)24(18)15-20;1-25-14-11-18(12-15-25)22-17-27(24-8-4-3-7-21(22)24)30(28,29)20-9-10-23-19(16-20)6-5-13-26(23)2;1-25-13-9-17(10-14-25)21-16-27(23-20(21)6-3-11-24-23)30(28,29)19-8-7-18-5-4-12-26(2)22(18)15-19/h5-9,14-16H,3-4,10-13H2,1-2H3;3-4,7-11,16-17H,5-6,12-15H2,1-2H3;3,6-9,11,15-16H,4-5,10,12-14H2,1-2H3
• InChIKey: SFWYGFQTZHZWIJ-UHFFFAOYSA-N
• XLogP: 12.35
• TPSA: 149.54 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1333.68
LogP ≤ 5	12.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline?

The IUPAC name of 1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline (CID 160823831) is 1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline.

What is the SMILES notation for 1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline?

The canonical SMILES for 1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline is CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCCN4C)c3ccccc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)N(C)CCC4)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)N(C)CCC4)c3ncccc23)CC1.

What is the InChIKey of 1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline?

The InChIKey is SFWYGFQTZHZWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O2S.C24H27N3O2S.C23H26N4O2S/c1-29-12-9-17(10-13-29)22-16-31(23-8-6-19(14-21(22)23)25(26,27)28)34(32,33)20-7-5-18-4-3-11-30(2)24(18)15-20;1-25-14-11-18(12-15-25)22-17-27(24-8-4-3-7-21(22)24)30(28,29)20-9-10-23-19(16-20)6-5-13-26(23)2;1-25-13-9-17(10-14-25)21-16-27(23-20(21)6-3-11-24-23)30(28,29)19-8-7-18-5-4-12-26(2)22(18)15-19/h5-9,14-16H,3-4,10-13H2,1-2H3;3-4,7-11,16-17H,5-6,12-15H2,1-2H3;3,6-9,11,15-16H,4-5,10,12-14H2,1-2H3.

What are the key properties of 1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline?

1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 1333.68 g/mol, XLogP of 12.35, 9 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 160823831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).